[2-oxidanylidene-2-[(phenylmethyl)carbamoylamino]ethyl] 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)carbamoylamino]ethyl] 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate Openeye Name: [2-(benzylcarbamoylamino)-2-oxo-ethyl] 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate CAS Name: 6-(3,5-dimethyl-1-pyrazolyl)-3-pyridinecarboxylic acid [2-oxo-2-[[oxo-[(phenylmethyl)amino]methyl]amino]ethyl] ester IUPAC Name: [2-(benzylcarbamoylamino)-2-oxoethyl] 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate Traditional Name: 6-(3,5-dimethylpyrazol-1-yl)nicotinic acid [2-(benzylcarbamoylamino)-2-keto-ethyl] ester Formula: C21H21N5O4 MolecularWeight: 407.42254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NC=C(C=C2)C(=O)OCC(=O)NC(=O)NCC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=NN1C2=NC=C(C=C2)C(=O)OCC(=O)NC(=O)NCC3=CC=CC=C3)C

InChI

InChI=1S/C21H21N5O4/c1-14-10-15(2)26(25-14)18-9-8-17(12-22-18)20(28)30-13-19(27)24-21(29)23-11-16-6-4-3-5-7-16/h3-10,12H,11,13H2,1-2H3,(H2,23,24,27,29)